USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0215 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 16 TYR OH : rot 66:sc= 0.461! USER MOD Single : A 19 SER OG : rot 16:sc= 0.00545 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -5.44! C(o=-5.4!,f=-3.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -6.61! C(o=-6.6!,f=-18!) USER MOD Single : A 39 THR OG1 : rot -60:sc= 0.119 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.6) USER MOD Single : A 48 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.075) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.44) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.51! C(o=-4.5!,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 18:sc= 1.12 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.427 12.035 1.315 1.00 0.00 N ATOM 2 CA GLY A 1 -12.084 12.138 2.723 1.00 0.00 C ATOM 3 C GLY A 1 -10.678 11.596 2.987 1.00 0.00 C ATOM 4 O GLY A 1 -9.771 11.795 2.180 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.864 12.924 0.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.566 11.856 0.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.097 11.251 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.141 13.179 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.809 11.584 3.319 1.00 0.00 H new ATOM 8 N SER A 2 -10.541 10.921 4.119 1.00 0.00 N ATOM 9 CA SER A 2 -9.261 10.349 4.499 1.00 0.00 C ATOM 10 C SER A 2 -8.141 11.361 4.252 1.00 0.00 C ATOM 11 O SER A 2 -7.480 11.321 3.216 1.00 0.00 O ATOM 12 CB SER A 2 -8.986 9.055 3.729 1.00 0.00 C ATOM 13 OG SER A 2 -7.731 8.480 4.083 1.00 0.00 O ATOM 0 H SER A 2 -11.296 10.758 4.785 1.00 0.00 H new ATOM 0 HA SER A 2 -9.296 10.108 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.782 8.338 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.002 9.260 2.659 1.00 0.00 H new ATOM 0 HG SER A 2 -7.593 7.655 3.572 1.00 0.00 H new ATOM 19 N SER A 3 -7.963 12.246 5.222 1.00 0.00 N ATOM 20 CA SER A 3 -6.935 13.268 5.124 1.00 0.00 C ATOM 21 C SER A 3 -5.590 12.704 5.588 1.00 0.00 C ATOM 22 O SER A 3 -4.620 12.700 4.832 1.00 0.00 O ATOM 23 CB SER A 3 -7.305 14.503 5.947 1.00 0.00 C ATOM 24 OG SER A 3 -6.560 15.652 5.551 1.00 0.00 O ATOM 0 H SER A 3 -8.514 12.276 6.080 1.00 0.00 H new ATOM 0 HA SER A 3 -6.854 13.572 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.370 14.706 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.126 14.302 7.003 1.00 0.00 H new ATOM 0 HG SER A 3 -6.827 16.420 6.099 1.00 0.00 H new ATOM 30 N GLY A 4 -5.576 12.240 6.829 1.00 0.00 N ATOM 31 CA GLY A 4 -4.367 11.675 7.403 1.00 0.00 C ATOM 32 C GLY A 4 -3.202 12.662 7.310 1.00 0.00 C ATOM 33 O GLY A 4 -3.391 13.816 6.926 1.00 0.00 O ATOM 0 H GLY A 4 -6.383 12.244 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.544 11.413 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.109 10.753 6.882 1.00 0.00 H new ATOM 37 N SER A 5 -2.024 12.174 7.668 1.00 0.00 N ATOM 38 CA SER A 5 -0.829 12.999 7.630 1.00 0.00 C ATOM 39 C SER A 5 0.143 12.465 6.575 1.00 0.00 C ATOM 40 O SER A 5 1.190 11.914 6.912 1.00 0.00 O ATOM 41 CB SER A 5 -0.150 13.049 9.000 1.00 0.00 C ATOM 42 OG SER A 5 -1.001 13.605 9.998 1.00 0.00 O ATOM 0 H SER A 5 -1.871 11.217 7.986 1.00 0.00 H new ATOM 0 HA SER A 5 -1.123 14.014 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.145 12.042 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.763 13.641 8.931 1.00 0.00 H new ATOM 0 HG SER A 5 -0.532 13.618 10.858 1.00 0.00 H new ATOM 48 N SER A 6 -0.240 12.645 5.319 1.00 0.00 N ATOM 49 CA SER A 6 0.585 12.189 4.213 1.00 0.00 C ATOM 50 C SER A 6 1.073 10.763 4.479 1.00 0.00 C ATOM 51 O SER A 6 2.263 10.542 4.699 1.00 0.00 O ATOM 52 CB SER A 6 1.774 13.124 3.990 1.00 0.00 C ATOM 53 OG SER A 6 1.395 14.315 3.304 1.00 0.00 O ATOM 0 H SER A 6 -1.110 13.100 5.043 1.00 0.00 H new ATOM 0 HA SER A 6 -0.022 12.196 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.216 13.384 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.542 12.604 3.417 1.00 0.00 H new ATOM 0 HG SER A 6 2.182 14.887 3.182 1.00 0.00 H new ATOM 59 N GLY A 7 0.130 9.833 4.448 1.00 0.00 N ATOM 60 CA GLY A 7 0.449 8.435 4.683 1.00 0.00 C ATOM 61 C GLY A 7 1.214 7.842 3.498 1.00 0.00 C ATOM 62 O GLY A 7 1.465 8.529 2.509 1.00 0.00 O ATOM 0 H GLY A 7 -0.856 10.020 4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.047 8.342 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.469 7.871 4.847 1.00 0.00 H new ATOM 66 N GLU A 8 1.564 6.571 3.638 1.00 0.00 N ATOM 67 CA GLU A 8 2.296 5.877 2.592 1.00 0.00 C ATOM 68 C GLU A 8 1.323 5.245 1.594 1.00 0.00 C ATOM 69 O GLU A 8 0.535 4.373 1.957 1.00 0.00 O ATOM 70 CB GLU A 8 3.235 4.825 3.185 1.00 0.00 C ATOM 71 CG GLU A 8 4.639 5.396 3.391 1.00 0.00 C ATOM 72 CD GLU A 8 5.670 4.276 3.541 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.369 3.324 4.293 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.736 4.397 2.900 1.00 0.00 O ATOM 0 H GLU A 8 1.354 6.004 4.460 1.00 0.00 H new ATOM 0 HA GLU A 8 2.910 6.604 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.838 4.474 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.284 3.961 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.906 6.029 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.652 6.028 4.279 1.00 0.00 H new ATOM 81 N ILE A 9 1.411 5.709 0.356 1.00 0.00 N ATOM 82 CA ILE A 9 0.548 5.199 -0.697 1.00 0.00 C ATOM 83 C ILE A 9 1.231 4.012 -1.379 1.00 0.00 C ATOM 84 O ILE A 9 2.451 3.996 -1.530 1.00 0.00 O ATOM 85 CB ILE A 9 0.159 6.322 -1.660 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.980 7.167 -1.086 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.183 5.764 -3.043 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.308 6.408 -1.141 1.00 0.00 C ATOM 0 H ILE A 9 2.066 6.432 0.058 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.389 4.831 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 9 1.019 6.981 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.753 7.436 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.065 8.098 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.456 6.583 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.683 5.240 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.020 5.071 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.101 7.031 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.544 6.162 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.227 5.490 -0.559 1.00 0.00 H new ATOM 100 N ALA A 10 0.413 3.047 -1.773 1.00 0.00 N ATOM 101 CA ALA A 10 0.922 1.859 -2.436 1.00 0.00 C ATOM 102 C ALA A 10 0.166 1.649 -3.749 1.00 0.00 C ATOM 103 O ALA A 10 -1.052 1.810 -3.801 1.00 0.00 O ATOM 104 CB ALA A 10 0.801 0.658 -1.495 1.00 0.00 C ATOM 0 H ALA A 10 -0.599 3.064 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 10 1.978 1.978 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.183 -0.234 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.380 0.845 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.246 0.506 -1.231 1.00 0.00 H new ATOM 110 N GLN A 11 0.920 1.293 -4.779 1.00 0.00 N ATOM 111 CA GLN A 11 0.337 1.059 -6.089 1.00 0.00 C ATOM 112 C GLN A 11 0.243 -0.442 -6.368 1.00 0.00 C ATOM 113 O GLN A 11 1.261 -1.127 -6.451 1.00 0.00 O ATOM 114 CB GLN A 11 1.138 1.771 -7.181 1.00 0.00 C ATOM 115 CG GLN A 11 0.682 1.328 -8.572 1.00 0.00 C ATOM 116 CD GLN A 11 1.201 2.282 -9.650 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.185 2.982 -9.473 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.488 2.271 -10.772 1.00 0.00 N ATOM 0 H GLN A 11 1.930 1.161 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.671 1.473 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.017 2.850 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.199 1.557 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.041 0.318 -8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.407 1.292 -8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.325 1.660 -10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.754 2.873 -11.551 1.00 0.00 H new ATOM 127 N VAL A 12 -0.989 -0.910 -6.506 1.00 0.00 N ATOM 128 CA VAL A 12 -1.229 -2.318 -6.774 1.00 0.00 C ATOM 129 C VAL A 12 -0.489 -2.723 -8.051 1.00 0.00 C ATOM 130 O VAL A 12 -0.592 -2.047 -9.073 1.00 0.00 O ATOM 131 CB VAL A 12 -2.734 -2.588 -6.844 1.00 0.00 C ATOM 132 CG1 VAL A 12 -3.012 -4.055 -7.178 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.425 -2.181 -5.541 1.00 0.00 C ATOM 0 H VAL A 12 -1.832 -0.339 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.839 -2.933 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.148 -1.978 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.088 -4.221 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.568 -4.299 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.578 -4.692 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.493 -2.383 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.006 -2.752 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.269 -1.117 -5.363 1.00 0.00 H new ATOM 143 N THR A 13 0.240 -3.824 -7.950 1.00 0.00 N ATOM 144 CA THR A 13 0.997 -4.327 -9.083 1.00 0.00 C ATOM 145 C THR A 13 0.461 -5.692 -9.519 1.00 0.00 C ATOM 146 O THR A 13 0.765 -6.161 -10.615 1.00 0.00 O ATOM 147 CB THR A 13 2.476 -4.352 -8.691 1.00 0.00 C ATOM 148 OG1 THR A 13 2.545 -5.335 -7.662 1.00 0.00 O ATOM 149 CG2 THR A 13 2.921 -3.060 -8.003 1.00 0.00 C ATOM 0 H THR A 13 0.323 -4.382 -7.100 1.00 0.00 H new ATOM 0 HA THR A 13 0.887 -3.677 -9.951 1.00 0.00 H new ATOM 0 HB THR A 13 3.085 -4.518 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.470 -5.418 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.978 -3.130 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.767 -2.217 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.336 -2.911 -7.096 1.00 0.00 H new ATOM 157 N SER A 14 -0.327 -6.291 -8.639 1.00 0.00 N ATOM 158 CA SER A 14 -0.908 -7.593 -8.919 1.00 0.00 C ATOM 159 C SER A 14 -2.274 -7.713 -8.240 1.00 0.00 C ATOM 160 O SER A 14 -2.404 -7.445 -7.047 1.00 0.00 O ATOM 161 CB SER A 14 0.016 -8.720 -8.454 1.00 0.00 C ATOM 162 OG SER A 14 1.359 -8.274 -8.285 1.00 0.00 O ATOM 0 H SER A 14 -0.577 -5.899 -7.731 1.00 0.00 H new ATOM 0 HA SER A 14 -1.035 -7.686 -9.998 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.353 -9.125 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.008 -9.532 -9.181 1.00 0.00 H new ATOM 0 HG SER A 14 1.917 -9.022 -7.986 1.00 0.00 H new ATOM 168 N ALA A 15 -3.258 -8.117 -9.030 1.00 0.00 N ATOM 169 CA ALA A 15 -4.610 -8.276 -8.520 1.00 0.00 C ATOM 170 C ALA A 15 -4.616 -9.351 -7.432 1.00 0.00 C ATOM 171 O ALA A 15 -3.868 -10.324 -7.511 1.00 0.00 O ATOM 172 CB ALA A 15 -5.555 -8.610 -9.676 1.00 0.00 C ATOM 0 H ALA A 15 -3.146 -8.339 -10.019 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.962 -7.349 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.569 -8.729 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.535 -7.802 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.235 -9.537 -10.151 1.00 0.00 H new ATOM 178 N TYR A 16 -5.470 -9.139 -6.441 1.00 0.00 N ATOM 179 CA TYR A 16 -5.584 -10.078 -5.338 1.00 0.00 C ATOM 180 C TYR A 16 -7.048 -10.293 -4.950 1.00 0.00 C ATOM 181 O TYR A 16 -7.883 -9.412 -5.149 1.00 0.00 O ATOM 182 CB TYR A 16 -4.846 -9.437 -4.160 1.00 0.00 C ATOM 183 CG TYR A 16 -5.013 -10.188 -2.838 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.193 -11.258 -2.544 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.984 -9.795 -1.939 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.350 -11.965 -1.299 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.141 -10.502 -0.695 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.317 -11.552 -0.436 1.00 0.00 C ATOM 189 OH TYR A 16 -5.465 -12.220 0.740 1.00 0.00 O ATOM 0 H TYR A 16 -6.089 -8.331 -6.379 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.168 -11.047 -5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.784 -9.376 -4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.204 -8.415 -4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.433 -11.565 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.626 -8.957 -2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.715 -12.804 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.897 -10.205 0.017 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.667 -12.089 1.293 1.00 0.00 H new ATOM 199 N VAL A 17 -7.315 -11.470 -4.403 1.00 0.00 N ATOM 200 CA VAL A 17 -8.664 -11.813 -3.986 1.00 0.00 C ATOM 201 C VAL A 17 -8.643 -12.261 -2.523 1.00 0.00 C ATOM 202 O VAL A 17 -7.986 -13.243 -2.181 1.00 0.00 O ATOM 203 CB VAL A 17 -9.251 -12.868 -4.926 1.00 0.00 C ATOM 204 CG1 VAL A 17 -10.756 -13.026 -4.701 1.00 0.00 C ATOM 205 CG2 VAL A 17 -8.947 -12.530 -6.387 1.00 0.00 C ATOM 0 H VAL A 17 -6.620 -12.198 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.316 -10.942 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.776 -13.822 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.148 -13.782 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.940 -13.334 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.254 -12.075 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.375 -13.295 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.381 -11.561 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.868 -12.492 -6.535 1.00 0.00 H new ATOM 215 N ALA A 18 -9.368 -11.519 -1.699 1.00 0.00 N ATOM 216 CA ALA A 18 -9.440 -11.828 -0.281 1.00 0.00 C ATOM 217 C ALA A 18 -9.865 -13.287 -0.102 1.00 0.00 C ATOM 218 O ALA A 18 -10.825 -13.738 -0.725 1.00 0.00 O ATOM 219 CB ALA A 18 -10.399 -10.853 0.406 1.00 0.00 C ATOM 0 H ALA A 18 -9.911 -10.705 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.463 -11.709 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.453 -11.085 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.037 -9.833 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.391 -10.946 -0.036 1.00 0.00 H new ATOM 225 N SER A 19 -9.130 -13.984 0.751 1.00 0.00 N ATOM 226 CA SER A 19 -9.419 -15.382 1.020 1.00 0.00 C ATOM 227 C SER A 19 -9.231 -15.679 2.509 1.00 0.00 C ATOM 228 O SER A 19 -8.508 -16.604 2.875 1.00 0.00 O ATOM 229 CB SER A 19 -8.528 -16.300 0.179 1.00 0.00 C ATOM 230 OG SER A 19 -8.968 -16.378 -1.174 1.00 0.00 O ATOM 0 H SER A 19 -8.334 -13.607 1.265 1.00 0.00 H new ATOM 0 HA SER A 19 -10.456 -15.575 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.502 -15.933 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.521 -17.298 0.616 1.00 0.00 H new ATOM 0 HG SER A 19 -9.597 -15.648 -1.356 1.00 0.00 H new ATOM 236 N GLY A 20 -9.894 -14.876 3.328 1.00 0.00 N ATOM 237 CA GLY A 20 -9.809 -15.041 4.769 1.00 0.00 C ATOM 238 C GLY A 20 -11.042 -14.455 5.461 1.00 0.00 C ATOM 239 O GLY A 20 -12.142 -14.989 5.334 1.00 0.00 O ATOM 0 H GLY A 20 -10.492 -14.109 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.719 -16.100 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.910 -14.550 5.143 1.00 0.00 H new ATOM 243 N SER A 21 -10.815 -13.364 6.178 1.00 0.00 N ATOM 244 CA SER A 21 -11.893 -12.700 6.891 1.00 0.00 C ATOM 245 C SER A 21 -11.596 -11.204 7.014 1.00 0.00 C ATOM 246 O SER A 21 -12.471 -10.372 6.777 1.00 0.00 O ATOM 247 CB SER A 21 -12.099 -13.315 8.277 1.00 0.00 C ATOM 248 OG SER A 21 -13.442 -13.750 8.474 1.00 0.00 O ATOM 0 H SER A 21 -9.901 -12.923 6.280 1.00 0.00 H new ATOM 0 HA SER A 21 -12.813 -12.836 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.422 -14.160 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.840 -12.582 9.041 1.00 0.00 H new ATOM 0 HG SER A 21 -13.532 -14.138 9.369 1.00 0.00 H new ATOM 254 N GLU A 22 -10.359 -10.907 7.383 1.00 0.00 N ATOM 255 CA GLU A 22 -9.935 -9.526 7.540 1.00 0.00 C ATOM 256 C GLU A 22 -8.964 -9.139 6.423 1.00 0.00 C ATOM 257 O GLU A 22 -8.055 -8.338 6.636 1.00 0.00 O ATOM 258 CB GLU A 22 -9.307 -9.298 8.916 1.00 0.00 C ATOM 259 CG GLU A 22 -10.368 -8.899 9.944 1.00 0.00 C ATOM 260 CD GLU A 22 -11.412 -10.005 10.112 1.00 0.00 C ATOM 261 OE1 GLU A 22 -10.996 -11.127 10.475 1.00 0.00 O ATOM 262 OE2 GLU A 22 -12.601 -9.704 9.874 1.00 0.00 O ATOM 0 H GLU A 22 -9.636 -11.600 7.578 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.814 -8.886 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.801 -10.206 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.549 -8.518 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.892 -8.695 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.857 -7.977 9.628 1.00 0.00 H new ATOM 269 N GLN A 23 -9.189 -9.726 5.257 1.00 0.00 N ATOM 270 CA GLN A 23 -8.345 -9.452 4.106 1.00 0.00 C ATOM 271 C GLN A 23 -8.956 -8.339 3.252 1.00 0.00 C ATOM 272 O GLN A 23 -10.125 -7.995 3.419 1.00 0.00 O ATOM 273 CB GLN A 23 -8.119 -10.718 3.278 1.00 0.00 C ATOM 274 CG GLN A 23 -6.849 -11.445 3.722 1.00 0.00 C ATOM 275 CD GLN A 23 -7.188 -12.749 4.447 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.670 -12.760 5.568 1.00 0.00 O ATOM 277 NE2 GLN A 23 -6.911 -13.846 3.746 1.00 0.00 N ATOM 0 H GLN A 23 -9.944 -10.390 5.084 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.373 -9.115 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.977 -11.382 3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.043 -10.457 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.226 -11.659 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.268 -10.799 4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.508 -13.766 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.102 -14.766 4.142 1.00 0.00 H new ATOM 286 N LEU A 24 -8.138 -7.808 2.355 1.00 0.00 N ATOM 287 CA LEU A 24 -8.584 -6.742 1.474 1.00 0.00 C ATOM 288 C LEU A 24 -8.235 -7.101 0.029 1.00 0.00 C ATOM 289 O LEU A 24 -7.111 -7.509 -0.259 1.00 0.00 O ATOM 290 CB LEU A 24 -8.013 -5.398 1.929 1.00 0.00 C ATOM 291 CG LEU A 24 -7.959 -4.298 0.867 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.364 -3.944 0.373 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.208 -3.070 1.386 1.00 0.00 C ATOM 0 H LEU A 24 -7.169 -8.096 2.219 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.668 -6.635 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.609 -5.037 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.003 -5.563 2.304 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.402 -4.677 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.298 -3.160 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.830 -4.828 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.966 -3.592 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.184 -2.304 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.715 -2.679 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.188 -3.351 1.649 1.00 0.00 H new ATOM 305 N SER A 25 -9.220 -6.936 -0.843 1.00 0.00 N ATOM 306 CA SER A 25 -9.030 -7.238 -2.251 1.00 0.00 C ATOM 307 C SER A 25 -8.247 -6.111 -2.927 1.00 0.00 C ATOM 308 O SER A 25 -8.584 -4.937 -2.774 1.00 0.00 O ATOM 309 CB SER A 25 -10.373 -7.447 -2.955 1.00 0.00 C ATOM 310 OG SER A 25 -11.236 -8.306 -2.214 1.00 0.00 O ATOM 0 H SER A 25 -10.151 -6.597 -0.601 1.00 0.00 H new ATOM 0 HA SER A 25 -8.461 -8.164 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.860 -6.483 -3.101 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.202 -7.871 -3.944 1.00 0.00 H new ATOM 0 HG SER A 25 -12.083 -8.413 -2.695 1.00 0.00 H new ATOM 316 N LEU A 26 -7.217 -6.506 -3.661 1.00 0.00 N ATOM 317 CA LEU A 26 -6.383 -5.544 -4.361 1.00 0.00 C ATOM 318 C LEU A 26 -6.633 -5.658 -5.866 1.00 0.00 C ATOM 319 O LEU A 26 -6.875 -6.751 -6.377 1.00 0.00 O ATOM 320 CB LEU A 26 -4.916 -5.719 -3.966 1.00 0.00 C ATOM 321 CG LEU A 26 -4.638 -5.879 -2.470 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.163 -6.199 -2.217 1.00 0.00 C ATOM 323 CD2 LEU A 26 -5.099 -4.645 -1.692 1.00 0.00 C ATOM 0 H LEU A 26 -6.941 -7.480 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.648 -4.528 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.523 -6.594 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.357 -4.856 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.218 -6.726 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.993 -6.308 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.900 -7.128 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.544 -5.389 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.890 -4.785 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.566 -3.766 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.170 -4.504 -1.835 1.00 0.00 H new ATOM 335 N ALA A 27 -6.567 -4.515 -6.533 1.00 0.00 N ATOM 336 CA ALA A 27 -6.783 -4.474 -7.969 1.00 0.00 C ATOM 337 C ALA A 27 -5.634 -3.711 -8.632 1.00 0.00 C ATOM 338 O ALA A 27 -5.142 -2.725 -8.085 1.00 0.00 O ATOM 339 CB ALA A 27 -8.146 -3.845 -8.263 1.00 0.00 C ATOM 0 H ALA A 27 -6.367 -3.611 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.793 -5.482 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.308 -3.814 -9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.930 -4.440 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.173 -2.831 -7.863 1.00 0.00 H new ATOM 345 N PRO A 28 -5.229 -4.209 -9.831 1.00 0.00 N ATOM 346 CA PRO A 28 -4.147 -3.585 -10.573 1.00 0.00 C ATOM 347 C PRO A 28 -4.613 -2.284 -11.232 1.00 0.00 C ATOM 348 O PRO A 28 -5.451 -2.305 -12.131 1.00 0.00 O ATOM 349 CB PRO A 28 -3.704 -4.634 -11.580 1.00 0.00 C ATOM 350 CG PRO A 28 -4.851 -5.627 -11.678 1.00 0.00 C ATOM 351 CD PRO A 28 -5.788 -5.374 -10.509 1.00 0.00 C ATOM 0 HA PRO A 28 -3.315 -3.289 -9.934 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.495 -4.181 -12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.788 -5.126 -11.254 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.380 -5.507 -12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.474 -6.649 -11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.805 -5.183 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.832 -6.236 -9.843 1.00 0.00 H new ATOM 359 N GLY A 29 -4.048 -1.183 -10.757 1.00 0.00 N ATOM 360 CA GLY A 29 -4.395 0.124 -11.288 1.00 0.00 C ATOM 361 C GLY A 29 -5.180 0.942 -10.261 1.00 0.00 C ATOM 362 O GLY A 29 -5.868 1.898 -10.618 1.00 0.00 O ATOM 0 H GLY A 29 -3.353 -1.170 -10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.488 0.659 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.988 0.006 -12.195 1.00 0.00 H new ATOM 366 N GLN A 30 -5.052 0.538 -9.006 1.00 0.00 N ATOM 367 CA GLN A 30 -5.741 1.222 -7.925 1.00 0.00 C ATOM 368 C GLN A 30 -4.732 1.755 -6.906 1.00 0.00 C ATOM 369 O GLN A 30 -3.539 1.467 -6.998 1.00 0.00 O ATOM 370 CB GLN A 30 -6.761 0.299 -7.255 1.00 0.00 C ATOM 371 CG GLN A 30 -7.944 0.022 -8.185 1.00 0.00 C ATOM 372 CD GLN A 30 -9.205 -0.311 -7.385 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.180 0.422 -7.382 1.00 0.00 O ATOM 374 NE2 GLN A 30 -9.130 -1.453 -6.707 1.00 0.00 N ATOM 0 H GLN A 30 -4.481 -0.255 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.286 2.068 -8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.281 -0.641 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.119 0.755 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.128 0.893 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.702 -0.807 -8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.283 -2.019 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.920 -1.762 -6.140 1.00 0.00 H new ATOM 383 N LEU A 31 -5.247 2.524 -5.958 1.00 0.00 N ATOM 384 CA LEU A 31 -4.406 3.100 -4.922 1.00 0.00 C ATOM 385 C LEU A 31 -4.946 2.697 -3.549 1.00 0.00 C ATOM 386 O LEU A 31 -6.158 2.635 -3.348 1.00 0.00 O ATOM 387 CB LEU A 31 -4.281 4.613 -5.114 1.00 0.00 C ATOM 388 CG LEU A 31 -3.527 5.071 -6.364 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.584 6.593 -6.512 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.089 4.549 -6.359 1.00 0.00 C ATOM 0 H LEU A 31 -6.236 2.762 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.392 2.707 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.284 5.040 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.782 5.030 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.021 4.644 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.040 6.892 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.623 6.912 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.129 7.061 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.575 4.889 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.568 4.926 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.098 3.459 -6.336 1.00 0.00 H new ATOM 402 N ILE A 32 -4.020 2.433 -2.639 1.00 0.00 N ATOM 403 CA ILE A 32 -4.388 2.037 -1.290 1.00 0.00 C ATOM 404 C ILE A 32 -3.498 2.772 -0.286 1.00 0.00 C ATOM 405 O ILE A 32 -2.296 2.918 -0.508 1.00 0.00 O ATOM 406 CB ILE A 32 -4.347 0.514 -1.148 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.602 -0.126 -1.746 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.134 0.105 0.310 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.286 -1.501 -2.339 1.00 0.00 C ATOM 0 H ILE A 32 -3.016 2.486 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.417 2.326 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.494 0.141 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.367 -0.225 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.012 0.523 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.109 -0.982 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.190 0.515 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.951 0.491 0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.194 -1.934 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.539 -1.395 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.899 -2.154 -1.557 1.00 0.00 H new ATOM 421 N LEU A 33 -4.121 3.216 0.795 1.00 0.00 N ATOM 422 CA LEU A 33 -3.400 3.932 1.833 1.00 0.00 C ATOM 423 C LEU A 33 -2.981 2.950 2.929 1.00 0.00 C ATOM 424 O LEU A 33 -3.809 2.199 3.444 1.00 0.00 O ATOM 425 CB LEU A 33 -4.231 5.110 2.348 1.00 0.00 C ATOM 426 CG LEU A 33 -3.545 6.018 3.371 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.789 5.519 4.797 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.054 6.165 3.062 1.00 0.00 C ATOM 0 H LEU A 33 -5.118 3.094 0.975 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.486 4.368 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.530 5.718 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.144 4.717 2.795 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.988 7.011 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.291 6.182 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.860 5.509 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.390 4.510 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.591 6.815 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.578 5.185 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.929 6.600 2.070 1.00 0.00 H new ATOM 440 N ILE A 34 -1.697 2.986 3.253 1.00 0.00 N ATOM 441 CA ILE A 34 -1.159 2.108 4.278 1.00 0.00 C ATOM 442 C ILE A 34 -1.527 2.656 5.658 1.00 0.00 C ATOM 443 O ILE A 34 -1.187 3.791 5.989 1.00 0.00 O ATOM 444 CB ILE A 34 0.344 1.907 4.076 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.636 1.288 2.708 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.946 1.085 5.218 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.179 0.009 2.500 1.00 0.00 C ATOM 0 H ILE A 34 -1.013 3.610 2.824 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.603 1.115 4.201 1.00 0.00 H new ATOM 0 HB ILE A 34 0.825 2.885 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.400 2.006 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.699 1.063 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.015 0.957 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.787 1.604 6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.465 0.108 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.047 -0.411 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.077 -0.715 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.242 0.242 2.559 1.00 0.00 H new ATOM 459 N LEU A 35 -2.216 1.825 6.425 1.00 0.00 N ATOM 460 CA LEU A 35 -2.633 2.213 7.762 1.00 0.00 C ATOM 461 C LEU A 35 -1.790 1.461 8.793 1.00 0.00 C ATOM 462 O LEU A 35 -1.307 2.054 9.757 1.00 0.00 O ATOM 463 CB LEU A 35 -4.140 2.009 7.933 1.00 0.00 C ATOM 464 CG LEU A 35 -5.014 2.443 6.755 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.148 1.444 6.516 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.537 3.866 6.955 1.00 0.00 C ATOM 0 H LEU A 35 -2.496 0.885 6.147 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.458 3.277 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.324 0.952 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.462 2.556 8.819 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.397 2.450 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.754 1.776 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.728 0.463 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.771 1.380 7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.155 4.149 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.133 3.910 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.696 4.554 7.038 1.00 0.00 H new ATOM 478 N LYS A 36 -1.637 0.167 8.555 1.00 0.00 N ATOM 479 CA LYS A 36 -0.860 -0.673 9.452 1.00 0.00 C ATOM 480 C LYS A 36 -0.031 -1.660 8.628 1.00 0.00 C ATOM 481 O LYS A 36 -0.467 -2.110 7.570 1.00 0.00 O ATOM 482 CB LYS A 36 -1.771 -1.344 10.482 1.00 0.00 C ATOM 483 CG LYS A 36 -1.172 -1.250 11.887 1.00 0.00 C ATOM 484 CD LYS A 36 -1.252 -2.596 12.608 1.00 0.00 C ATOM 485 CE LYS A 36 -1.845 -2.434 14.009 1.00 0.00 C ATOM 486 NZ LYS A 36 -0.845 -1.849 14.930 1.00 0.00 N ATOM 0 H LYS A 36 -2.038 -0.321 7.754 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.158 -0.069 10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.752 -0.870 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.919 -2.390 10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.132 -0.929 11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.704 -0.493 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.864 -3.287 12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.256 -3.034 12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.726 -1.794 13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.173 -3.403 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.263 -1.746 15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.016 -2.474 14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.552 -0.916 14.577 1.00 0.00 H new ATOM 500 N LYS A 37 1.149 -1.968 9.145 1.00 0.00 N ATOM 501 CA LYS A 37 2.043 -2.894 8.471 1.00 0.00 C ATOM 502 C LYS A 37 2.484 -3.979 9.455 1.00 0.00 C ATOM 503 O LYS A 37 2.484 -3.761 10.666 1.00 0.00 O ATOM 504 CB LYS A 37 3.207 -2.140 7.825 1.00 0.00 C ATOM 505 CG LYS A 37 2.707 -1.185 6.739 1.00 0.00 C ATOM 506 CD LYS A 37 3.813 -0.874 5.729 1.00 0.00 C ATOM 507 CE LYS A 37 4.255 0.587 5.832 1.00 0.00 C ATOM 508 NZ LYS A 37 5.697 0.671 6.152 1.00 0.00 N ATOM 0 H LYS A 37 1.507 -1.593 10.023 1.00 0.00 H new ATOM 0 HA LYS A 37 1.525 -3.396 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.749 -1.579 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.911 -2.852 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.854 -1.628 6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.357 -0.260 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.666 -1.529 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.457 -1.080 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.055 1.101 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.675 1.095 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.980 1.669 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.879 0.198 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.247 0.204 5.403 1.00 0.00 H new ATOM 522 N ASN A 38 2.849 -5.125 8.899 1.00 0.00 N ATOM 523 CA ASN A 38 3.291 -6.244 9.713 1.00 0.00 C ATOM 524 C ASN A 38 4.570 -6.832 9.113 1.00 0.00 C ATOM 525 O ASN A 38 4.800 -6.727 7.909 1.00 0.00 O ATOM 526 CB ASN A 38 2.234 -7.350 9.750 1.00 0.00 C ATOM 527 CG ASN A 38 2.209 -8.129 8.433 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.574 -7.631 7.381 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.759 -9.375 8.550 1.00 0.00 N ATOM 0 H ASN A 38 2.848 -5.302 7.895 1.00 0.00 H new ATOM 0 HA ASN A 38 3.464 -5.877 10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.443 -8.031 10.575 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.253 -6.914 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.704 -9.977 7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.469 -9.729 9.462 1.00 0.00 H new ATOM 536 N THR A 39 5.367 -7.439 9.979 1.00 0.00 N ATOM 537 CA THR A 39 6.617 -8.044 9.550 1.00 0.00 C ATOM 538 C THR A 39 6.362 -9.432 8.959 1.00 0.00 C ATOM 539 O THR A 39 7.007 -10.404 9.349 1.00 0.00 O ATOM 540 CB THR A 39 7.571 -8.058 10.746 1.00 0.00 C ATOM 541 OG1 THR A 39 8.841 -8.358 10.173 1.00 0.00 O ATOM 542 CG2 THR A 39 7.304 -9.229 11.694 1.00 0.00 C ATOM 0 H THR A 39 5.172 -7.525 10.976 1.00 0.00 H new ATOM 0 HA THR A 39 7.083 -7.466 8.752 1.00 0.00 H new ATOM 0 HB THR A 39 7.481 -7.120 11.294 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.801 -9.229 9.726 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.008 -9.192 12.525 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.286 -9.162 12.078 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.427 -10.169 11.155 1.00 0.00 H new ATOM 550 N SER A 40 5.420 -9.480 8.028 1.00 0.00 N ATOM 551 CA SER A 40 5.072 -10.733 7.380 1.00 0.00 C ATOM 552 C SER A 40 4.821 -10.498 5.889 1.00 0.00 C ATOM 553 O SER A 40 5.292 -11.263 5.049 1.00 0.00 O ATOM 554 CB SER A 40 3.842 -11.367 8.032 1.00 0.00 C ATOM 555 OG SER A 40 4.086 -12.711 8.437 1.00 0.00 O ATOM 0 H SER A 40 4.887 -8.671 7.707 1.00 0.00 H new ATOM 0 HA SER A 40 5.908 -11.423 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.545 -10.775 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.008 -11.345 7.330 1.00 0.00 H new ATOM 0 HG SER A 40 3.278 -13.080 8.850 1.00 0.00 H new ATOM 561 N GLY A 41 4.079 -9.438 5.606 1.00 0.00 N ATOM 562 CA GLY A 41 3.760 -9.093 4.231 1.00 0.00 C ATOM 563 C GLY A 41 2.313 -8.610 4.109 1.00 0.00 C ATOM 564 O GLY A 41 1.914 -8.090 3.068 1.00 0.00 O ATOM 0 H GLY A 41 3.689 -8.806 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.438 -8.315 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.913 -9.961 3.590 1.00 0.00 H new ATOM 568 N TRP A 42 1.566 -8.800 5.187 1.00 0.00 N ATOM 569 CA TRP A 42 0.173 -8.390 5.213 1.00 0.00 C ATOM 570 C TRP A 42 0.111 -6.955 5.739 1.00 0.00 C ATOM 571 O TRP A 42 0.419 -6.702 6.903 1.00 0.00 O ATOM 572 CB TRP A 42 -0.670 -9.365 6.038 1.00 0.00 C ATOM 573 CG TRP A 42 -0.762 -10.770 5.438 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.035 -11.821 5.673 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.743 -11.236 4.488 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.359 -12.927 4.947 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.475 -12.559 4.204 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.822 -10.562 3.889 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.240 -13.322 3.313 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.577 -11.338 3.002 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.319 -12.672 2.705 1.00 0.00 C ATOM 0 H TRP A 42 1.900 -9.232 6.048 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.253 -8.412 4.210 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.248 -9.436 7.040 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.676 -8.960 6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.880 -11.805 6.346 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.086 -13.845 4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.050 -9.527 4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.009 -14.357 3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.418 -10.868 2.514 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.949 -13.204 2.008 1.00 0.00 H new ATOM 592 N TRP A 43 -0.288 -6.051 4.856 1.00 0.00 N ATOM 593 CA TRP A 43 -0.394 -4.648 5.217 1.00 0.00 C ATOM 594 C TRP A 43 -1.878 -4.312 5.379 1.00 0.00 C ATOM 595 O TRP A 43 -2.714 -4.793 4.616 1.00 0.00 O ATOM 596 CB TRP A 43 0.310 -3.763 4.186 1.00 0.00 C ATOM 597 CG TRP A 43 1.836 -3.769 4.300 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.592 -4.375 5.226 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.767 -3.110 3.415 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.937 -4.156 5.003 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.046 -3.362 3.867 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.536 -2.327 2.271 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.194 -2.869 3.235 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.693 -1.841 1.651 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.988 -2.086 2.093 1.00 0.00 C ATOM 0 H TRP A 43 -0.542 -6.263 3.891 1.00 0.00 H new ATOM 0 HA TRP A 43 0.112 -4.453 6.163 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.029 -4.094 3.186 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.048 -2.739 4.296 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.199 -4.961 6.044 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.708 -4.511 5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.544 -2.117 1.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.185 -3.081 3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.571 -1.233 0.767 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.831 -1.674 1.558 1.00 0.00 H new ATOM 616 N GLN A 44 -2.159 -3.487 6.377 1.00 0.00 N ATOM 617 CA GLN A 44 -3.527 -3.081 6.649 1.00 0.00 C ATOM 618 C GLN A 44 -3.749 -1.634 6.206 1.00 0.00 C ATOM 619 O GLN A 44 -3.477 -0.701 6.961 1.00 0.00 O ATOM 620 CB GLN A 44 -3.868 -3.260 8.130 1.00 0.00 C ATOM 621 CG GLN A 44 -5.373 -3.116 8.368 1.00 0.00 C ATOM 622 CD GLN A 44 -5.697 -3.143 9.863 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.829 -3.045 10.714 1.00 0.00 O ATOM 624 NE2 GLN A 44 -6.992 -3.282 10.133 1.00 0.00 N ATOM 0 H GLN A 44 -1.463 -3.089 7.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.197 -3.722 6.076 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.535 -4.242 8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.330 -2.520 8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.726 -2.181 7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.904 -3.923 7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.666 -3.359 9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.311 -3.312 11.101 1.00 0.00 H new ATOM 633 N GLY A 45 -4.242 -1.491 4.985 1.00 0.00 N ATOM 634 CA GLY A 45 -4.503 -0.173 4.432 1.00 0.00 C ATOM 635 C GLY A 45 -5.937 -0.073 3.908 1.00 0.00 C ATOM 636 O GLY A 45 -6.735 -0.990 4.093 1.00 0.00 O ATOM 0 H GLY A 45 -4.468 -2.267 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.338 0.586 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.801 0.032 3.623 1.00 0.00 H new ATOM 640 N GLU A 46 -6.221 1.050 3.265 1.00 0.00 N ATOM 641 CA GLU A 46 -7.545 1.282 2.713 1.00 0.00 C ATOM 642 C GLU A 46 -7.440 1.753 1.261 1.00 0.00 C ATOM 643 O GLU A 46 -6.605 2.597 0.937 1.00 0.00 O ATOM 644 CB GLU A 46 -8.324 2.290 3.561 1.00 0.00 C ATOM 645 CG GLU A 46 -9.720 2.530 2.983 1.00 0.00 C ATOM 646 CD GLU A 46 -10.022 4.026 2.882 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.382 4.787 3.640 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.886 4.376 2.049 1.00 0.00 O ATOM 0 H GLU A 46 -5.557 1.809 3.114 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.094 0.341 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.408 1.922 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.778 3.232 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.792 2.073 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.466 2.046 3.613 1.00 0.00 H new ATOM 655 N LEU A 47 -8.298 1.188 0.425 1.00 0.00 N ATOM 656 CA LEU A 47 -8.312 1.539 -0.984 1.00 0.00 C ATOM 657 C LEU A 47 -8.828 2.970 -1.144 1.00 0.00 C ATOM 658 O LEU A 47 -9.792 3.363 -0.489 1.00 0.00 O ATOM 659 CB LEU A 47 -9.107 0.506 -1.786 1.00 0.00 C ATOM 660 CG LEU A 47 -9.127 0.706 -3.303 1.00 0.00 C ATOM 661 CD1 LEU A 47 -7.896 0.074 -3.956 1.00 0.00 C ATOM 662 CD2 LEU A 47 -10.430 0.179 -3.908 1.00 0.00 C ATOM 0 H LEU A 47 -8.989 0.489 0.697 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.301 1.516 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.698 -0.482 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.136 0.509 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.086 1.776 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.935 0.231 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.994 0.536 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.881 -0.995 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.419 0.333 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.526 -0.886 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.275 0.713 -3.474 1.00 0.00 H new ATOM 674 N GLN A 48 -8.162 3.711 -2.018 1.00 0.00 N ATOM 675 CA GLN A 48 -8.541 5.091 -2.271 1.00 0.00 C ATOM 676 C GLN A 48 -9.275 5.202 -3.610 1.00 0.00 C ATOM 677 O GLN A 48 -8.836 5.924 -4.504 1.00 0.00 O ATOM 678 CB GLN A 48 -7.319 6.010 -2.238 1.00 0.00 C ATOM 679 CG GLN A 48 -6.613 5.935 -0.883 1.00 0.00 C ATOM 680 CD GLN A 48 -7.461 6.582 0.214 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.824 7.745 0.148 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.753 5.767 1.224 1.00 0.00 N ATOM 0 H GLN A 48 -7.363 3.382 -2.559 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.218 5.413 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.625 5.727 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.626 7.037 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.416 4.894 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.647 6.436 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.417 4.804 1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.313 6.105 2.007 1.00 0.00 H new ATOM 691 N ALA A 49 -10.380 4.477 -3.705 1.00 0.00 N ATOM 692 CA ALA A 49 -11.178 4.486 -4.919 1.00 0.00 C ATOM 693 C ALA A 49 -12.629 4.144 -4.572 1.00 0.00 C ATOM 694 O ALA A 49 -12.928 3.766 -3.441 1.00 0.00 O ATOM 695 CB ALA A 49 -10.576 3.511 -5.933 1.00 0.00 C ATOM 0 H ALA A 49 -10.741 3.880 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.172 5.476 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.175 3.518 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.555 3.814 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.568 2.506 -5.511 1.00 0.00 H new ATOM 701 N ARG A 50 -13.491 4.288 -5.568 1.00 0.00 N ATOM 702 CA ARG A 50 -14.903 3.999 -5.382 1.00 0.00 C ATOM 703 C ARG A 50 -15.116 2.498 -5.182 1.00 0.00 C ATOM 704 O ARG A 50 -14.901 1.709 -6.101 1.00 0.00 O ATOM 705 CB ARG A 50 -15.724 4.468 -6.586 1.00 0.00 C ATOM 706 CG ARG A 50 -15.709 5.994 -6.699 1.00 0.00 C ATOM 707 CD ARG A 50 -17.125 6.564 -6.597 1.00 0.00 C ATOM 708 NE ARG A 50 -17.165 7.641 -5.582 1.00 0.00 N ATOM 709 CZ ARG A 50 -18.291 8.230 -5.156 1.00 0.00 C ATOM 710 NH1 ARG A 50 -19.476 7.850 -5.653 1.00 0.00 N ATOM 711 NH2 ARG A 50 -18.231 9.199 -4.232 1.00 0.00 N ATOM 0 H ARG A 50 -13.239 4.601 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.238 4.538 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -15.322 4.028 -7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.751 4.117 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.086 6.415 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.262 6.288 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.440 6.953 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.826 5.773 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.281 7.954 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.521 7.112 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.333 8.299 -5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.329 9.488 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.087 9.648 -3.907 1.00 0.00 H new ATOM 725 N GLY A 51 -15.535 2.147 -3.975 1.00 0.00 N ATOM 726 CA GLY A 51 -15.779 0.754 -3.643 1.00 0.00 C ATOM 727 C GLY A 51 -17.155 0.577 -2.997 1.00 0.00 C ATOM 728 O GLY A 51 -17.966 1.502 -2.993 1.00 0.00 O ATOM 0 H GLY A 51 -15.712 2.804 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.716 0.145 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.005 0.398 -2.963 1.00 0.00 H new ATOM 732 N LYS A 52 -17.375 -0.617 -2.466 1.00 0.00 N ATOM 733 CA LYS A 52 -18.638 -0.926 -1.818 1.00 0.00 C ATOM 734 C LYS A 52 -18.740 -0.142 -0.509 1.00 0.00 C ATOM 735 O LYS A 52 -19.715 0.574 -0.285 1.00 0.00 O ATOM 736 CB LYS A 52 -18.794 -2.438 -1.643 1.00 0.00 C ATOM 737 CG LYS A 52 -20.249 -2.867 -1.844 1.00 0.00 C ATOM 738 CD LYS A 52 -20.347 -4.372 -2.100 1.00 0.00 C ATOM 739 CE LYS A 52 -20.014 -5.165 -0.834 1.00 0.00 C ATOM 740 NZ LYS A 52 -19.407 -6.469 -1.185 1.00 0.00 N ATOM 0 H LYS A 52 -16.700 -1.382 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.474 -0.612 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.156 -2.958 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.460 -2.729 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.834 -2.606 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.679 -2.323 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.353 -4.623 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.663 -4.654 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.327 -4.594 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.920 -5.324 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.187 -6.995 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.075 -7.019 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.532 -6.311 -1.725 1.00 0.00 H new ATOM 754 N LYS A 53 -17.721 -0.303 0.322 1.00 0.00 N ATOM 755 CA LYS A 53 -17.684 0.381 1.603 1.00 0.00 C ATOM 756 C LYS A 53 -16.228 0.606 2.015 1.00 0.00 C ATOM 757 O LYS A 53 -15.726 -0.056 2.922 1.00 0.00 O ATOM 758 CB LYS A 53 -18.506 -0.383 2.643 1.00 0.00 C ATOM 759 CG LYS A 53 -17.895 -1.758 2.922 1.00 0.00 C ATOM 760 CD LYS A 53 -18.954 -2.858 2.827 1.00 0.00 C ATOM 761 CE LYS A 53 -18.765 -3.897 3.934 1.00 0.00 C ATOM 762 NZ LYS A 53 -19.084 -5.253 3.433 1.00 0.00 N ATOM 0 H LYS A 53 -16.914 -0.898 0.133 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.149 1.364 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.554 0.192 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.530 -0.501 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.095 -1.956 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.446 -1.766 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -19.948 -2.418 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.893 -3.344 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.737 -3.869 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.407 -3.655 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.950 -5.946 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.072 -5.280 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.454 -5.487 2.639 1.00 0.00 H new ATOM 776 N ARG A 54 -15.590 1.542 1.328 1.00 0.00 N ATOM 777 CA ARG A 54 -14.201 1.863 1.611 1.00 0.00 C ATOM 778 C ARG A 54 -13.416 0.588 1.927 1.00 0.00 C ATOM 779 O ARG A 54 -13.338 0.174 3.083 1.00 0.00 O ATOM 780 CB ARG A 54 -14.088 2.829 2.791 1.00 0.00 C ATOM 781 CG ARG A 54 -14.517 4.241 2.387 1.00 0.00 C ATOM 782 CD ARG A 54 -13.561 5.290 2.959 1.00 0.00 C ATOM 783 NE ARG A 54 -14.206 6.001 4.085 1.00 0.00 N ATOM 784 CZ ARG A 54 -14.258 5.533 5.340 1.00 0.00 C ATOM 785 NH1 ARG A 54 -13.703 4.350 5.636 1.00 0.00 N ATOM 786 NH2 ARG A 54 -14.864 6.247 6.298 1.00 0.00 N ATOM 0 H ARG A 54 -16.009 2.089 0.576 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.784 2.341 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.710 2.478 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.060 2.847 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.541 4.320 1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.529 4.433 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.643 4.811 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.281 6.001 2.182 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.639 6.905 3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.241 3.806 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.742 3.993 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.286 7.148 6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.903 5.890 7.253 1.00 0.00 H new ATOM 800 N GLN A 55 -12.855 0.002 0.880 1.00 0.00 N ATOM 801 CA GLN A 55 -12.078 -1.217 1.032 1.00 0.00 C ATOM 802 C GLN A 55 -11.007 -1.034 2.109 1.00 0.00 C ATOM 803 O GLN A 55 -10.236 -0.077 2.065 1.00 0.00 O ATOM 804 CB GLN A 55 -11.452 -1.638 -0.299 1.00 0.00 C ATOM 805 CG GLN A 55 -12.134 -2.889 -0.855 1.00 0.00 C ATOM 806 CD GLN A 55 -13.619 -2.634 -1.118 1.00 0.00 C ATOM 807 OE1 GLN A 55 -14.002 -1.961 -2.062 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.432 -3.205 -0.234 1.00 0.00 N ATOM 0 H GLN A 55 -12.923 0.348 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.750 -2.015 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.537 -0.823 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.388 -1.831 -0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.644 -3.193 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.022 -3.712 -0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.046 -3.756 0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.442 -3.092 -0.323 1.00 0.00 H new ATOM 817 N LYS A 56 -10.994 -1.966 3.050 1.00 0.00 N ATOM 818 CA LYS A 56 -10.030 -1.919 4.136 1.00 0.00 C ATOM 819 C LYS A 56 -9.856 -3.323 4.719 1.00 0.00 C ATOM 820 O LYS A 56 -10.831 -3.961 5.112 1.00 0.00 O ATOM 821 CB LYS A 56 -10.440 -0.870 5.171 1.00 0.00 C ATOM 822 CG LYS A 56 -9.269 -0.523 6.093 1.00 0.00 C ATOM 823 CD LYS A 56 -9.254 -1.428 7.326 1.00 0.00 C ATOM 824 CE LYS A 56 -9.911 -0.736 8.522 1.00 0.00 C ATOM 825 NZ LYS A 56 -11.169 -1.423 8.892 1.00 0.00 N ATOM 0 H LYS A 56 -11.636 -2.758 3.083 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.054 -1.604 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.787 0.030 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.275 -1.245 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.330 -0.628 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.343 0.519 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.779 -2.358 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.226 -1.693 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.227 -0.736 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.117 0.306 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.602 -0.940 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.826 -1.401 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.964 -2.411 9.145 1.00 0.00 H new ATOM 839 N GLY A 57 -8.607 -3.763 4.756 1.00 0.00 N ATOM 840 CA GLY A 57 -8.292 -5.080 5.284 1.00 0.00 C ATOM 841 C GLY A 57 -6.787 -5.347 5.232 1.00 0.00 C ATOM 842 O GLY A 57 -6.004 -4.449 4.924 1.00 0.00 O ATOM 0 H GLY A 57 -7.801 -3.231 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.643 -5.156 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.820 -5.841 4.710 1.00 0.00 H new ATOM 846 N TRP A 58 -6.426 -6.585 5.537 1.00 0.00 N ATOM 847 CA TRP A 58 -5.028 -6.981 5.529 1.00 0.00 C ATOM 848 C TRP A 58 -4.734 -7.646 4.183 1.00 0.00 C ATOM 849 O TRP A 58 -5.302 -8.690 3.865 1.00 0.00 O ATOM 850 CB TRP A 58 -4.706 -7.880 6.724 1.00 0.00 C ATOM 851 CG TRP A 58 -4.725 -7.155 8.071 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.783 -6.884 8.848 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.585 -6.617 8.773 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.410 -6.213 9.994 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.031 -6.045 9.948 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.222 -6.613 8.428 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.179 -5.427 10.871 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.384 -5.991 9.361 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.817 -5.411 10.548 1.00 0.00 C ATOM 0 H TRP A 58 -7.078 -7.327 5.791 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.379 -6.112 5.637 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.425 -8.699 6.754 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.722 -8.325 6.576 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.800 -7.157 8.607 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.032 -5.898 10.739 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.851 -7.055 7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.553 -4.986 11.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.327 -5.959 9.143 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.106 -4.950 11.218 1.00 0.00 H new ATOM 870 N PHE A 59 -3.845 -7.016 3.429 1.00 0.00 N ATOM 871 CA PHE A 59 -3.468 -7.534 2.125 1.00 0.00 C ATOM 872 C PHE A 59 -1.949 -7.682 2.013 1.00 0.00 C ATOM 873 O PHE A 59 -1.203 -7.051 2.760 1.00 0.00 O ATOM 874 CB PHE A 59 -3.948 -6.520 1.085 1.00 0.00 C ATOM 875 CG PHE A 59 -3.194 -5.189 1.119 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.892 -5.135 0.728 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.825 -4.061 1.539 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.193 -3.900 0.759 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.125 -2.825 1.570 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.824 -2.771 1.180 1.00 0.00 C ATOM 0 H PHE A 59 -3.375 -6.151 3.696 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.915 -8.516 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.847 -6.958 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.009 -6.329 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.391 -6.031 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.859 -4.104 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.160 -3.857 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.627 -1.928 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.291 -1.832 1.204 1.00 0.00 H new ATOM 890 N PRO A 60 -1.525 -8.541 1.047 1.00 0.00 N ATOM 891 CA PRO A 60 -0.109 -8.780 0.827 1.00 0.00 C ATOM 892 C PRO A 60 0.541 -7.597 0.107 1.00 0.00 C ATOM 893 O PRO A 60 0.016 -7.109 -0.893 1.00 0.00 O ATOM 894 CB PRO A 60 -0.047 -10.070 0.025 1.00 0.00 C ATOM 895 CG PRO A 60 -1.433 -10.256 -0.571 1.00 0.00 C ATOM 896 CD PRO A 60 -2.380 -9.306 0.144 1.00 0.00 C ATOM 0 HA PRO A 60 0.450 -8.878 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.710 -10.008 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.221 -10.913 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.419 -10.048 -1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.765 -11.287 -0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.894 -8.654 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.148 -9.851 0.693 1.00 0.00 H new ATOM 904 N ALA A 61 1.674 -7.169 0.644 1.00 0.00 N ATOM 905 CA ALA A 61 2.402 -6.052 0.065 1.00 0.00 C ATOM 906 C ALA A 61 3.029 -6.489 -1.260 1.00 0.00 C ATOM 907 O ALA A 61 3.417 -5.652 -2.073 1.00 0.00 O ATOM 908 CB ALA A 61 3.444 -5.548 1.065 1.00 0.00 C ATOM 0 H ALA A 61 2.106 -7.575 1.474 1.00 0.00 H new ATOM 0 HA ALA A 61 1.727 -5.223 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.990 -4.710 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.945 -5.222 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.141 -6.352 1.301 1.00 0.00 H new ATOM 914 N SER A 62 3.108 -7.800 -1.437 1.00 0.00 N ATOM 915 CA SER A 62 3.681 -8.358 -2.650 1.00 0.00 C ATOM 916 C SER A 62 2.753 -8.095 -3.837 1.00 0.00 C ATOM 917 O SER A 62 3.128 -8.325 -4.985 1.00 0.00 O ATOM 918 CB SER A 62 3.937 -9.859 -2.498 1.00 0.00 C ATOM 919 OG SER A 62 4.927 -10.135 -1.511 1.00 0.00 O ATOM 0 H SER A 62 2.785 -8.492 -0.761 1.00 0.00 H new ATOM 0 HA SER A 62 4.639 -7.870 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.007 -10.360 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.255 -10.271 -3.456 1.00 0.00 H new ATOM 0 HG SER A 62 5.060 -11.104 -1.443 1.00 0.00 H new ATOM 925 N HIS A 63 1.559 -7.617 -3.518 1.00 0.00 N ATOM 926 CA HIS A 63 0.574 -7.320 -4.544 1.00 0.00 C ATOM 927 C HIS A 63 0.579 -5.819 -4.842 1.00 0.00 C ATOM 928 O HIS A 63 0.016 -5.379 -5.843 1.00 0.00 O ATOM 929 CB HIS A 63 -0.807 -7.839 -4.138 1.00 0.00 C ATOM 930 CG HIS A 63 -1.059 -9.278 -4.519 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.786 -9.641 -5.640 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.672 -10.440 -3.918 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.829 -10.964 -5.700 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.139 -11.457 -4.631 1.00 0.00 N ATOM 0 H HIS A 63 1.252 -7.428 -2.564 1.00 0.00 H new ATOM 0 HA HIS A 63 0.837 -7.839 -5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.920 -7.734 -3.059 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.570 -7.213 -4.601 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.215 -8.999 -6.306 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.085 -10.519 -3.015 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.323 -11.549 -6.461 1.00 0.00 H new ATOM 942 N VAL A 64 1.223 -5.075 -3.955 1.00 0.00 N ATOM 943 CA VAL A 64 1.309 -3.632 -4.110 1.00 0.00 C ATOM 944 C VAL A 64 2.776 -3.204 -4.049 1.00 0.00 C ATOM 945 O VAL A 64 3.657 -4.027 -3.802 1.00 0.00 O ATOM 946 CB VAL A 64 0.440 -2.940 -3.059 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.860 -3.714 -2.825 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.209 -2.752 -1.749 1.00 0.00 C ATOM 0 H VAL A 64 1.690 -5.444 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 64 0.922 -3.328 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 64 0.178 -1.953 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.459 -3.200 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.421 -3.773 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.627 -4.720 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.568 -2.258 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.515 -3.725 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.092 -2.139 -1.930 1.00 0.00 H new ATOM 958 N LYS A 65 2.994 -1.917 -4.279 1.00 0.00 N ATOM 959 CA LYS A 65 4.340 -1.370 -4.253 1.00 0.00 C ATOM 960 C LYS A 65 4.315 0.002 -3.577 1.00 0.00 C ATOM 961 O LYS A 65 3.468 0.838 -3.891 1.00 0.00 O ATOM 962 CB LYS A 65 4.938 -1.351 -5.661 1.00 0.00 C ATOM 963 CG LYS A 65 4.501 -0.100 -6.425 1.00 0.00 C ATOM 964 CD LYS A 65 4.919 -0.181 -7.895 1.00 0.00 C ATOM 965 CE LYS A 65 6.044 0.810 -8.200 1.00 0.00 C ATOM 966 NZ LYS A 65 7.363 0.195 -7.931 1.00 0.00 N ATOM 0 H LYS A 65 2.261 -1.238 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 65 4.998 -2.006 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.026 -1.382 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.625 -2.242 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.419 0.013 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.943 0.784 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.248 -1.194 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.061 0.030 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.988 1.123 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.923 1.706 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.116 0.881 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.419 -0.082 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.482 -0.646 -8.530 1.00 0.00 H new ATOM 980 N LEU A 66 5.253 0.193 -2.661 1.00 0.00 N ATOM 981 CA LEU A 66 5.349 1.449 -1.938 1.00 0.00 C ATOM 982 C LEU A 66 5.778 2.556 -2.902 1.00 0.00 C ATOM 983 O LEU A 66 6.712 2.377 -3.683 1.00 0.00 O ATOM 984 CB LEU A 66 6.268 1.300 -0.724 1.00 0.00 C ATOM 985 CG LEU A 66 5.584 0.937 0.595 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.581 0.964 1.756 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.377 1.841 0.855 1.00 0.00 C ATOM 0 H LEU A 66 5.954 -0.502 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 66 4.376 1.734 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.011 0.534 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.808 2.237 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 66 5.210 -0.084 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.069 0.702 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.379 0.246 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.007 1.963 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.909 1.561 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.704 2.879 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.656 1.727 0.045 1.00 0.00 H new ATOM 999 N LEU A 67 5.076 3.677 -2.817 1.00 0.00 N ATOM 1000 CA LEU A 67 5.373 4.813 -3.673 1.00 0.00 C ATOM 1001 C LEU A 67 6.388 5.720 -2.975 1.00 0.00 C ATOM 1002 O LEU A 67 6.642 6.836 -3.427 1.00 0.00 O ATOM 1003 CB LEU A 67 4.084 5.530 -4.079 1.00 0.00 C ATOM 1004 CG LEU A 67 3.127 4.737 -4.971 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.126 5.664 -5.662 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.899 3.877 -5.975 1.00 0.00 C ATOM 0 H LEU A 67 4.302 3.823 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 67 5.831 4.479 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.551 5.817 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.352 6.451 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 67 2.554 4.059 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.458 5.075 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.543 6.195 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.663 6.384 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.195 3.324 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.514 4.518 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.538 3.176 -5.438 1.00 0.00 H new ATOM 1018 N GLY A 68 6.940 5.208 -1.885 1.00 0.00 N ATOM 1019 CA GLY A 68 7.922 5.958 -1.120 1.00 0.00 C ATOM 1020 C GLY A 68 7.343 7.292 -0.644 1.00 0.00 C ATOM 1021 O GLY A 68 6.132 7.421 -0.472 1.00 0.00 O ATOM 0 H GLY A 68 6.726 4.283 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.245 5.370 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.805 6.139 -1.733 1.00 0.00 H new ATOM 1025 N PRO A 69 8.259 8.276 -0.440 1.00 0.00 N ATOM 1026 CA PRO A 69 7.852 9.596 0.013 1.00 0.00 C ATOM 1027 C PRO A 69 7.203 10.389 -1.123 1.00 0.00 C ATOM 1028 O PRO A 69 7.888 10.843 -2.039 1.00 0.00 O ATOM 1029 CB PRO A 69 9.125 10.242 0.536 1.00 0.00 C ATOM 1030 CG PRO A 69 10.273 9.448 -0.064 1.00 0.00 C ATOM 1031 CD PRO A 69 9.702 8.159 -0.633 1.00 0.00 C ATOM 0 HA PRO A 69 7.091 9.557 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.180 11.290 0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.158 10.214 1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.768 10.024 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.024 9.230 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.953 8.047 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.101 7.287 -0.116 1.00 0.00 H new ATOM 1039 N SER A 70 5.889 10.531 -1.027 1.00 0.00 N ATOM 1040 CA SER A 70 5.140 11.262 -2.035 1.00 0.00 C ATOM 1041 C SER A 70 3.661 11.322 -1.647 1.00 0.00 C ATOM 1042 O SER A 70 3.088 10.323 -1.214 1.00 0.00 O ATOM 1043 CB SER A 70 5.301 10.619 -3.414 1.00 0.00 C ATOM 1044 OG SER A 70 6.505 11.028 -4.056 1.00 0.00 O ATOM 0 H SER A 70 5.324 10.152 -0.267 1.00 0.00 H new ATOM 0 HA SER A 70 5.537 12.276 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.296 9.534 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.449 10.884 -4.039 1.00 0.00 H new ATOM 0 HG SER A 70 7.122 11.397 -3.390 1.00 0.00 H new ATOM 1050 N SER A 71 3.085 12.503 -1.815 1.00 0.00 N ATOM 1051 CA SER A 71 1.685 12.706 -1.487 1.00 0.00 C ATOM 1052 C SER A 71 1.126 13.885 -2.286 1.00 0.00 C ATOM 1053 O SER A 71 0.033 13.800 -2.843 1.00 0.00 O ATOM 1054 CB SER A 71 1.499 12.946 0.013 1.00 0.00 C ATOM 1055 OG SER A 71 0.249 12.446 0.482 1.00 0.00 O ATOM 0 H SER A 71 3.563 13.329 -2.174 1.00 0.00 H new ATOM 0 HA SER A 71 1.137 11.802 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.310 12.466 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.563 14.014 0.220 1.00 0.00 H new ATOM 0 HG SER A 71 -0.056 12.987 1.240 1.00 0.00 H new ATOM 1061 N GLU A 72 1.902 14.959 -2.317 1.00 0.00 N ATOM 1062 CA GLU A 72 1.498 16.154 -3.038 1.00 0.00 C ATOM 1063 C GLU A 72 1.286 15.833 -4.519 1.00 0.00 C ATOM 1064 O GLU A 72 2.239 15.524 -5.233 1.00 0.00 O ATOM 1065 CB GLU A 72 2.525 17.274 -2.861 1.00 0.00 C ATOM 1066 CG GLU A 72 1.944 18.623 -3.288 1.00 0.00 C ATOM 1067 CD GLU A 72 2.176 19.686 -2.212 1.00 0.00 C ATOM 1068 OE1 GLU A 72 3.289 19.685 -1.644 1.00 0.00 O ATOM 1069 OE2 GLU A 72 1.234 20.475 -1.981 1.00 0.00 O ATOM 0 H GLU A 72 2.808 15.026 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 72 0.553 16.504 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.839 17.323 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.414 17.054 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.404 18.941 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.876 18.519 -3.477 1.00 0.00 H new ATOM 1076 N ARG A 73 0.032 15.918 -4.936 1.00 0.00 N ATOM 1077 CA ARG A 73 -0.317 15.641 -6.319 1.00 0.00 C ATOM 1078 C ARG A 73 -1.824 15.808 -6.530 1.00 0.00 C ATOM 1079 O ARG A 73 -2.617 15.486 -5.647 1.00 0.00 O ATOM 1080 CB ARG A 73 0.093 14.222 -6.717 1.00 0.00 C ATOM 1081 CG ARG A 73 -0.695 13.180 -5.920 1.00 0.00 C ATOM 1082 CD ARG A 73 -2.051 12.901 -6.571 1.00 0.00 C ATOM 1083 NE ARG A 73 -2.181 11.458 -6.871 1.00 0.00 N ATOM 1084 CZ ARG A 73 -1.697 10.874 -7.976 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -1.048 11.606 -8.891 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -1.862 9.558 -8.165 1.00 0.00 N ATOM 0 H ARG A 73 -0.755 16.175 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 73 0.222 16.352 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.079 14.076 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.161 14.086 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.121 12.255 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.843 13.534 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.855 13.216 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.150 13.482 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.669 10.871 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.922 12.608 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.680 11.162 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.356 9.001 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.494 9.113 -9.006 1.00 0.00 H new ATOM 1100 N ALA A 74 -2.172 16.311 -7.705 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.569 16.524 -8.043 1.00 0.00 C ATOM 1102 C ALA A 74 -4.140 17.635 -7.159 1.00 0.00 C ATOM 1103 O ALA A 74 -3.515 18.034 -6.178 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.337 15.209 -7.895 1.00 0.00 C ATOM 0 H ALA A 74 -1.511 16.577 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.668 16.844 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.385 15.369 -8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.912 14.462 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.262 14.858 -6.866 1.00 0.00 H new ATOM 1110 N SER A 75 -5.320 18.103 -7.539 1.00 0.00 N ATOM 1111 CA SER A 75 -5.981 19.160 -6.793 1.00 0.00 C ATOM 1112 C SER A 75 -7.347 18.677 -6.302 1.00 0.00 C ATOM 1113 O SER A 75 -8.086 18.033 -7.045 1.00 0.00 O ATOM 1114 CB SER A 75 -6.138 20.420 -7.646 1.00 0.00 C ATOM 1115 OG SER A 75 -5.548 21.560 -7.028 1.00 0.00 O ATOM 0 H SER A 75 -5.835 17.769 -8.354 1.00 0.00 H new ATOM 0 HA SER A 75 -5.361 19.412 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.678 20.257 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.197 20.610 -7.821 1.00 0.00 H new ATOM 0 HG SER A 75 -5.668 22.343 -7.604 1.00 0.00 H new ATOM 1121 N GLY A 76 -7.642 19.007 -5.053 1.00 0.00 N ATOM 1122 CA GLY A 76 -8.907 18.615 -4.454 1.00 0.00 C ATOM 1123 C GLY A 76 -9.668 19.836 -3.933 1.00 0.00 C ATOM 1124 O GLY A 76 -9.991 20.743 -4.697 1.00 0.00 O ATOM 0 H GLY A 76 -7.027 19.541 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.515 18.090 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.726 17.918 -3.635 1.00 0.00 H new ATOM 1128 N PRO A 77 -9.938 19.819 -2.600 1.00 0.00 N ATOM 1129 CA PRO A 77 -10.655 20.913 -1.967 1.00 0.00 C ATOM 1130 C PRO A 77 -9.752 22.137 -1.803 1.00 0.00 C ATOM 1131 O PRO A 77 -8.579 22.102 -2.170 1.00 0.00 O ATOM 1132 CB PRO A 77 -11.140 20.350 -0.641 1.00 0.00 C ATOM 1133 CG PRO A 77 -10.288 19.121 -0.373 1.00 0.00 C ATOM 1134 CD PRO A 77 -9.570 18.761 -1.663 1.00 0.00 C ATOM 0 HA PRO A 77 -11.495 21.268 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.030 21.083 0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.197 20.089 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.569 19.321 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.910 18.291 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.491 18.719 -1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.880 17.782 -2.029 1.00 0.00 H new ATOM 1142 N SER A 78 -10.334 23.192 -1.252 1.00 0.00 N ATOM 1143 CA SER A 78 -9.598 24.425 -1.035 1.00 0.00 C ATOM 1144 C SER A 78 -10.012 25.055 0.297 1.00 0.00 C ATOM 1145 O SER A 78 -9.177 25.260 1.177 1.00 0.00 O ATOM 1146 CB SER A 78 -9.825 25.412 -2.182 1.00 0.00 C ATOM 1147 OG SER A 78 -11.210 25.638 -2.424 1.00 0.00 O ATOM 0 H SER A 78 -11.308 23.218 -0.949 1.00 0.00 H new ATOM 0 HA SER A 78 -8.535 24.187 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.339 26.359 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.356 25.029 -3.088 1.00 0.00 H new ATOM 0 HG SER A 78 -11.314 26.275 -3.162 1.00 0.00 H new ATOM 1153 N SER A 79 -11.301 25.343 0.403 1.00 0.00 N ATOM 1154 CA SER A 79 -11.836 25.945 1.612 1.00 0.00 C ATOM 1155 C SER A 79 -11.270 27.356 1.789 1.00 0.00 C ATOM 1156 O SER A 79 -10.194 27.530 2.359 1.00 0.00 O ATOM 1157 CB SER A 79 -11.519 25.089 2.840 1.00 0.00 C ATOM 1158 OG SER A 79 -11.945 23.739 2.674 1.00 0.00 O ATOM 0 H SER A 79 -11.990 25.171 -0.329 1.00 0.00 H new ATOM 0 HA SER A 79 -12.920 26.005 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.446 25.110 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.006 25.518 3.716 1.00 0.00 H new ATOM 0 HG SER A 79 -11.723 23.225 3.478 1.00 0.00 H new ATOM 1164 N GLY A 80 -12.020 28.327 1.290 1.00 0.00 N ATOM 1165 CA GLY A 80 -11.607 29.716 1.386 1.00 0.00 C ATOM 1166 C GLY A 80 -11.631 30.197 2.838 1.00 0.00 C ATOM 1167 O GLY A 80 -12.642 30.059 3.525 1.00 0.00 O ATOM 0 H GLY A 80 -12.912 28.179 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.602 29.829 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.268 30.338 0.782 1.00 0.00 H new TER 1171 GLY A 80